3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione

C15H15N3OS — CID 79289232

IUPAC3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCOc1ccc(-n2c(=S)[nH]c3cccnc32)cc1
InChIInChI=1S/C15H15N3OS/c1-2-10-19-12-7-5-11(6-8-12)18-14-13(17-15(18)20)4-3-9-16-14/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyVFBGHWAIRZHIBJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.87
Rot. Bonds4

About 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione

3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79289232) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79289232
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCCCOc1ccc(-n2c(=S)[nH]c3cccnc32)cc1
InChIInChI=1S/C15H15N3OS/c1-2-10-19-12-7-5-11(6-8-12)18-14-13(17-15(18)20)4-3-9-16-14/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyVFBGHWAIRZHIBJ-UHFFFAOYSA-N
XLogP3.87
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79289232) is 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is CCCOc1ccc(-n2c(=S)[nH]c3cccnc32)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is VFBGHWAIRZHIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-10-19-12-7-5-11(6-8-12)18-14-13(17-15(18)20)4-3-9-16-14/h3-9H,2,10H2,1H3,(H,17,20).
What are the key properties of 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione?
3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 285.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79289232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).